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Displaying 31 - 53 of 53
From RNA Sequence to Coarse-Grained Molecular Dynamics
The dynamics of large biomolecules such as proteins or RNAs provide an important insight into their function and ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik-
Image Analysis and Calibration of High Dimensional Deformable Cell Models in Complex Geometries Using Advanced Interaction Schemes
Organ-like three-dimensional cell aggregates developed in the laboratory represent versatile cellular models for drug ...
LebenswissenschaftenGrundlagen der Biologie und Medizin 
Investigation of the Electronic Structure of Nitrogen Photoactivation Complexes
Ammonia derived from atmospheric N2 and fossil H2 in the Haber-Bosch process represents the main source of nitrogen ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Optical Absorption Studies and Quantum Chemistry of a Tin Nanoparticle
Semiconductors are the fundament of modern technology and still in the focus of current research. With decreasing size ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Optical Spectroscopy, Dielectric Properties and Structure Discrimination of Sn+N (20≤N≤40) Clusters
Semiconductor materials are of great importance in the development of technological devices. In particular, the trend ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Quantum Chemical Investigation of Spectroscopic Properties of Iron Complexes as Models for Fe-N-C Fuel Cell Catalysts
Fe-N-C catalysts are a promising substitution material for rare and expensive platinum catalysts on the cathodic side of ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Testing and Development of Methods for the Calculation of Phase Diagrams of Interatomic Potentials
Understanding the behavior of different materials not only furthers general knowledge, but can also often be used for ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
Activation of Small Molecules With Metal-Free Systems
Ammonia borane (NH3BH3) is an easy to handle solid capable of releasing up to 3 equivalents of dihydrogen and therefore ...
NaturwissenschaftenMolekülchemie
Approximately Solving Mean Field Games via Entropy-Regularized Deep Reinforcement Learning
Reinforcement Learning (RL) has proven to be an empirically very successful approach to solving sequential decision ...
IngenieurwissenschaftenInformatik
Computational Modelling of Multiple Photoswitches
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
NaturwissenschaftenMolekülchemie
Efficient Gas Engines for Maritime Applications of the Next Generation
Not only in automotive and aviation industries, but also in shipping the engine manufacturer are forced by new ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics-
Multi-Label Rule Learning
This project aimed at solving multi-label classification problems using rule learning algorithms. Multi-label ...
IngenieurwissenschaftenInformatik 
Alternative Ephemeris Representations for Astrodynamical Simulations on Multi-Core CPUs and Accelerator Cards
Spacecraft missions of the European Space Agency (ESA) are required to meet specific probabilistic requirements ...
Engineering SciencesComputer Science
Asymmetric, Lewis-Acid Catalysed, Diels-Alder Reactions of Phthalazine
Novel methods to access complex molecular structures open new avenues for applications in medicalas well as material ...
NaturwissenschaftenMolekülchemie
Efficient Gas Engines for Maritime Applications of the Next Generation
Not only in automotive and aviation industries, but also in shipping the engine manufacturer are forced by new ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Global Optimization of Aluminum-doped Tin Clusters
Semiconductors are the fundament of modern technology and as such still a topic of current research. With decrease in ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
London Dispersion Forces in Structure and Reactivity
London dispersion forces help explaining unexpected attractive interactions of organic material. During the last century ...
Natural SciencesMolecular Chemistry
Mapping the Genetics of Neuropsychological Traits to Molecular NETworks of Human Brain
The complex architecture of neuropsychiatric disorders comprises of distinct neuropsychological traits. Previous studies ...
LebenswissenschaftenGrundlagen der Biologie und Medizin
Matrix Isolation of Sulfur Containing Reactive Intermediates
Sulfur-containing compounds present in the earth’s atmosphere impact cloud formation and thus our climate. The main ...
Natural SciencesMolecular ChemistryPhysical and Theoretical Chemistry
Metal-Free Dimerization of Terminal Alkynes Catalyzed by a Pyridonate Borane Complex
We have recently reported the synthesis of a pyridonate borane complex that reversibly activates dihydrogen under mild ...
NaturwissenschaftenMolekülchemie-
Stabilization by Dispersion Donors in the Z Isomer of Non-Symmetric Azobenzene
The determination of the strength of London dispersion interactions between polarizable groups is connected with some ...
Natural SciencesMolecular Chemistry 
Toward a Better Understanding of Dispersion Interactions in Organic Reactions
London Dispersion (LD)[1-3] interactions are noncovalent interactions that hold together nonpolar or weakly polar ...
Natural SciencesMolecular Chemistry-
Control of London Dispersion Forces in molecular chemistry
Introduction: Since attractive forces in molecular chemistry are often neglected in molecular chemistry we want to ...
NaturwissenschaftenMolekülchemie
